Account ((2S,3aS,7aS)-1-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-Arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carbonyl)-L-arginine
- Catalog No. :
- ACPVYW047
- CAS No. :
- 130308-48-4
- Molecular Formula :
- C59H89N19O13S
- Molecular Weight :
- 1304.55
IUPAC Name:((2S,3aS,7aS)-1-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carbonyl)-L-arginine
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Product Information
| Product Name | ((2S,3aS,7aS)-1-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-Arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carbonyl)-L-arginine |
|---|---|
| IUPAC Name | ((2S,3aS,7aS)-1-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carbonyl)-L-arginine |
| Molecular Formula | C59H89N19O13S |
| Molecular Weight | 1304.55 |
| SMILES | [H][C@]1(C[C@@H](C(N[C@H](C(O)=O)CCCNC(N)=N)=O)N2C([C@@H]3N(C([C@H](CO)NC([C@H](CC4=CC=CS4)NC(CNC([C@@H]5C[C@@H](O)CN5C([C@H]6N(C([C@H](CCCNC(N)=N)NC([C@H](N)CCCNC(N)=N)=O)=O)CCC6)=O)=O)=O)=O)=O)CC7=C(C=CC=C7)C3)=O)[C@]2([H])CCCC1 |
| InChI Key | QURWXBZNHXJZBE-SKXRKSCCSA-N |
| Synonym | RRP-(HYP)-G-(THI)-S-(D-TIC)-(OIC)-R;H-D-ARG-ARG-PRO-HYP-GLY-THI-SER-D-TIC-OIC-ARG-OH;H2N-D-ARG-ARG-PRO-HYP-GLY-THI-SER-D-TIC-OIC-ARG-OH;Icatibatide Acetate;Icatibant;D-Arg-[Hyp3,Thi5,D-Tic7,Oic8]bradykinin;D-Arg-L-Arg-L-Pro-L-t4Hyp-Gly-L-Thi-L-Ser-D-Tic-L-Oic-L-Arg-OH;H0E-140 |
| CAS No. | 130308-48-4 |
| PubChem CID | 6918173 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACPVYW047 Molecular Building Block Synthetic Route
((2S,3aS,7aS)-1-((R)-2-(((S)-2-(2-((2S,4R)-1-(D-arginyl-L-arginyl-L-prolyl)-4-hydroxypyrrolidine-2-carboxamido)acetamido)-3-(thiophen-2-yl)propanoyl)-L-seryl)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)octahydro-1H-indole-2-carbonyl)-L-arginine--acetic acid (1/1)
(2S,4R)-1-(((S)-2-((R)-2-amino-5-((diaminomethylene)amino)pentanamido)-5-((diaminomethylene)amino)pentanoyl)-L-prolyl)-N-(2-(((S)-1-(((8S,13S,15aS,16aS,20aS,22aR)-13-(3-((diaminomethylene)amino)propyl)-7,12,15,22-tetraoxo-5,8,9,10,11,12,13,14,15,15a,16,16a,17,18,19,20,20a,22,22a,23-icosahydro-7H-indolo[1',2':4,5][1,4,7,10]tetraazacyclotetradecino[1,2-b]isoquinolin-8-yl)amino)-1-oxo-3-(thiophen-2-yl)propan-2-yl)amino)-2-oxoethyl)-4-hydroxypyrrolidine-2-carboxamide
B 4310